Predicted GPCR-endogenous ligand interactome: 44,574 Boltz-2 complex structures

Boltz-2 predicted complex structures and binding-affinity predictions for 323 human GPCRs against 139 endogenous ligands (44,574 receptor-ligand pairs). The structures are distributed as 10 binary parts (structures.partNN.bin), each the concatenation of individually gzip-compressed mmCIF files. A single structure is retrieved with one HTTP byte-range request; structure_index.json in the companion repository maps each _ name to its part, byte offset and length. Companion website: https://github.com/KhondamirRustamov/GPCR-ligand-interactome